1-methyl-4-methylidenepiperidin-3-ol

C7H13NO — CID 18713570

IUPAC1-methyl-4-methylidenepiperidin-3-ol
SMILESC=C1CCN(C)CC1O
InChIInChI=1S/C7H13NO/c1-6-3-4-8(2)5-7(6)9/h7,9H,1,3-5H2,2H3
InChIKeyDMCPJPUMHKYHIB-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.24
Rot. Bonds

About 1-methyl-4-methylidenepiperidin-3-ol

1-methyl-4-methylidenepiperidin-3-ol (PubChem CID 18713570) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-methyl-4-methylidenepiperidin-3-ol.

Molecular Properties

Compound Name1-methyl-4-methylidenepiperidin-3-ol
PubChem CID18713570
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-methyl-4-methylidenepiperidin-3-ol
SMILESC=C1CCN(C)CC1O
InChIInChI=1S/C7H13NO/c1-6-3-4-8(2)5-7(6)9/h7,9H,1,3-5H2,2H3
InChIKeyDMCPJPUMHKYHIB-UHFFFAOYSA-N
XLogP0.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidenepiperidin-3-ol?
The IUPAC name of 1-methyl-4-methylidenepiperidin-3-ol (CID 18713570) is 1-methyl-4-methylidenepiperidin-3-ol.
What is the SMILES notation for 1-methyl-4-methylidenepiperidin-3-ol?
The canonical SMILES for 1-methyl-4-methylidenepiperidin-3-ol is C=C1CCN(C)CC1O.
What is the InChIKey of 1-methyl-4-methylidenepiperidin-3-ol?
The InChIKey is DMCPJPUMHKYHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-3-4-8(2)5-7(6)9/h7,9H,1,3-5H2,2H3.
What are the key properties of 1-methyl-4-methylidenepiperidin-3-ol?
1-methyl-4-methylidenepiperidin-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidenepiperidin-3-ol is sourced from PubChem (CID 18713570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).